1zgc

Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (S)-Tacrine-(10)-Hupyridone Inhibitor.
'''Orthorhombic Crystal Form. For additional information, especially, about structure of the inhibitor, please see 1zgb (trigonal form) and AChE bivalent inhibitors.'''



The active site of the Torpedo californica AChE (TcAChE, EC 3.1.1.7) is located at the active site gorge. The overlap of (R)-3 (cyan) and (S)-3 (orange) bound to the TcAChE active site in the orthorhombic forms is shown. Superposition of (S,S)-(-)-4a (magenta) and (S)-3 (orange, orthorhombic TcAChE) demonstrates the similar mode of binding of the hupyridone unit at the PAS. The residues Trp279 (top) and Trp84 (bottom) represent the PAS and the CAS, respectively.

About this Structure
1ZGC is a Single protein structure of sequence from Torpedo californica. Full crystallographic information is available from OCA.

Additional Resources
For additional information, see: Alzheimer's Disease

Reference
Crystal packing mediates enantioselective ligand recognition at the peripheral site of acetylcholinesterase., Haviv H, Wong DM, Greenblatt HM, Carlier PR, Pang YP, Silman I, Sussman JL, J Am Chem Soc. 2005 Aug 10;127(31):11029-36. PMID:16076210

Potent, easily synthesized huperzine A-tacrine hybrid acetylcholinesterase inhibitors., Carlier PR, Du DM, Han Y, Liu J, Pang YP, Bioorg Med Chem Lett. 1999 Aug 16;9(16):2335-8. PMID:10476864

Acetylcholinesterase complexed with bivalent ligands related to huperzine a: experimental evidence for species-dependent protein-ligand complementarity., Wong DM, Greenblatt HM, Dvir H, Carlier PR, Han YF, Pang YP, Silman I, Sussman JL, J Am Chem Soc. 2003 Jan 15;125(2):363-73. PMID:12517147

The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design., Greenblatt HM, Guillou C, Guenard D, Argaman A, Botti S, Badet B, Thal C, Silman I, Sussman JL, J Am Chem Soc. 2004 Dec 1;126(47):15405-11. PMID:15563167

Atomic structure of acetylcholinesterase from Torpedo californica: a prototypic acetylcholine-binding protein., Sussman JL, Harel M, Frolow F, Oefner C, Goldman A, Toker L, Silman I, Science. 1991 Aug 23;253(5022):872-9. PMID:1678899

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